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144403-95-2

144403-95-2 | Carbamic acid, (2-bromophenyl)-2-propynyl-, methyl ester (9CI)

CAS No: 144403-95-2 Catalog No: AG001JH5 MDL No:

Product Description

Catalog Number:
AG001JH5
Chemical Name:
Carbamic acid, (2-bromophenyl)-2-propynyl-, methyl ester (9CI)
CAS Number:
144403-95-2
Molecular Formula:
C11H10BrNO2
Molecular Weight:
268.1066
IUPAC Name:
methyl N-(2-bromophenyl)-N-prop-2-ynylcarbamate
InChI:
InChI=1S/C11H10BrNO2/c1-3-8-13(11(14)15-2)10-7-5-4-6-9(10)12/h1,4-7H,8H2,2H3
InChI Key:
YFJSPKGKZBADMG-UHFFFAOYSA-N
SMILES:
C#CCN(c1ccccc1Br)C(=O)OC

Properties

Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.989g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.11g/mol
Monoisotopic Mass:
266.989g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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